>compound L-Carnosine_L-Carnosine
#instrument UPLC Q-Tof Premier, Waters
>formula C9H14N4O3
#smiles NCCC(=O)N[C@H](C(O)=O)Cc(c1)ncn1
#RECORD LC-ESI-QTOF_train_data/PR100072.txt;LC-ESI-QTOF_train_data/PR100391.txt;LC-ESI-QTOF_train_data/PR100518.txt;LC-ESI-QTOF_train_data/PR100073.txt
>charge 1
>ionization [M+H]+
>parentmass 227.11439

>collision 5-60
156.0782 69.12
227.1144 966.1

>collision 5-60
83.0611 321.6
93.0459 268.8
95.0616 276.6
110.0721 2506.0
122.0726 329.4
156.0779 804.2
164.0833 262.9
181.1098 193.2
210.0882 520.4
227.1144 373.2

>collision 5-60
81.0466 57.35
93.0458 44.28
110.0725 397.4
154.0623 315.1
163.1012 43.76
225.0196 70.38
225.0988 287.3

>collision 30
110.0739 70.31
156.0802 120.2
210.0928 26.29
227.1144 276.2

